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At least 325 records · Page 18

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DOE OSTI2021

The intrinsic value of bioblendstocks: Prenol as a case study

Decarbonizing the transportation sector is likely to require both electrification and increased incorporation of biofuels and/or bioblendstocks. While the social and environmental benefits of bioblendstocks are well understood, their real value for the fuel producers has not been established. As such, this work considers prenol as a bioblendstock case study to identify sources of intrinsic value to fuel blenders by studying the properties of binary mixtures with gasoline components. The considered refinery blendstocks were samples of full range naphthas from the distillation, fluidized catalytic cracking, isomerization, alkylation, and reforming units. Octane numbers, Reid vapor pressure, distillation curves, and sulfur content were evaluated. Our results indicate the need for adjusting the formulation of the base fuel, depending on the interplay among the properties of the bioblendstock and those of the base fuel. Prenol increased research octane number (RON) and octane sensitivity (OS) of the base fuel, by up to 25 and 10 octane numbers, respectively. Additionally, 10 vol% prenol reduced RVP up to 2.2 psi, for the more volatile blendstock. Thus, considering prenol as a low volatility, RON/OS boosting bioblendstock, the composition of the preferred base fuel was proposed as containing reduced olefins and aromatics, and increase light fractions. The potential impact of this new gasoline formulation on refining processes and products gives rise to direct sources of value to the refiners, such as exporting products to the chemicals market, increasing the value of intermediate refinery streams, decreasing operating severity of certain refinery units, and broadening of the product suite.

09 BIOMASS FUELS↗

DOE OSTI2010

Beyond low beta-decay Q values

Beta decays with low Q values can be utilized in the quest to determine the neutrino mass scale. This is being realized in two experiments, KATRIN and MARE, using tritium and {sup 187}Re, respectively. The beta-decay of {sup 187}Re had the lowest known Q value until 2005, when the beta decay of {sup 115}In to the first excited state of {sup 115}Sn was discovered in Gran Sasso underground laboratory. Last year two independent ion trap measurements confirmed that this decay breaks the former record by an order of magnitude.Our theoretical study on this tiny decay channel complemented the experimental effort by the JYFLTRAP group in Finland and HADES underground laboratory in Belgium. A significant discrepancy between the experimental and theoretical results was found. This might be explained by various atomic contributions known to grow larger as the Q value decreases. However, the traditional recipes for taking these effects into account break down on this new ultra-low Q value regime, providing new challenges for theorists on the borderline between nuclear and atomic physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2011

On Limiting Values of Dust Charges in Complex Plasmas

We investigate limiting values of charges of microparticles for two possibilities of complex (dusty) plasmas in the presence of electromagnetic radiation. The first possibility assumes solid dust grains contained in the plasma while the second one implies the liquid droplets. We obtain analytical expression describing dust particle charging as a result of intensive photoelectric effect. We show that the electrostatic pressure on the surface of charged solid dust particles can affect the strength characteristics of these particles. We obtain the limiting values of the charges of solid dusts, the dusts exceeding this charge value are subjected to total or partial destruction. Necessary conditions and parameters for X-ray sources of electromagnetic radiation are defined to reach these limiting values of dust charges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Extended space expectation values of position related operators for hydrogen-like quantum system evolutions

The expectation value definitions over an extended space from the considered Hilbert space of the system under consideration is given in another paper of the second author in this symposium. There, in that paper, the conceptuality rather than specification is emphasized on. This work uses that conceptuality to investigate the time evolutions of the position related operators' expectation values not in its standard meaning but rather in a new version of the definition over not the original Hilbert space but in the space obtained by extensions via introducing the images of the given initial wave packet under the positive integer powers of the system Hamiltonian. These images may not be residing in the same space of the initial wave packet when certain singularities appear in the structure of the system Hamiltonian. This may break down the existence of the integrals in the definitions of the expectation values. The cure is the use of basis functions in the abovementioned extended space and the sandwiching of the target operator whose expectation value is under questioning by an appropriately chosen operator guaranteeing the existence of the relevant integrals. Work specifically focuses on the hydrogen-like quantum systems whose Hamiltonians contain a polar singularity at the origin.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Influence of additives on the increase of the heating value of Bayah’s coal with upgrading brown coal (UBC) method

UBC (upgrading brown coal) is a method of improving the quality of coal by using oil as an additive. Through processing in the oil media, not just the calories that increase, but there is also water repellent properties and a decrease in the tendency of spontaneous combustion of coal products produced. The results showed a decrease in the water levels of natural coal bayah reached 69%, increase in calorific value reached 21.2%. Increased caloric value and reduced water content caused by the water molecules on replacing seal the pores of coal by oil and atoms C on the oil that is bound to increase the percentage of coal carbon. As a result of this experiment is, the produced coal has better calorific value, the increasing of this new calorific value up to 23.8% with the additive waste lubricant, and the moisture content reduced up to 69.45%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Gauge-invariant expectation values of the energy of a molecule in an electromagnetic field

In this paper, we show that the full Hamiltonian for a molecule in an electromagnetic field can be separated into a molecular Hamiltonian and a field Hamiltonian, both with gauge-invariant expectation values. The expectation value of the molecular Hamiltonian gives physically meaningful results for the energy of a molecule in a time-dependent applied field. In contrast, the usual partitioning of the full Hamiltonian into molecular and field terms introduces an arbitrary gauge-dependent potential into the molecular Hamiltonian and leaves a gauge-dependent form of the Hamiltonian for the field. With the usual partitioning of the Hamiltonian, this same problem of gauge dependence arises even in the absence of an applied field, as we show explicitly by considering a gauge transformation from zero applied field and zero external potentials to zero applied field, but non-zero external vector and scalar potentials. We resolve this problem and also remove the gauge dependence from the Hamiltonian for a molecule in a non-zero applied field and from the field Hamiltonian, by repartitioning the full Hamiltonian. It is possible to remove the gauge dependence because the interaction of the molecular charges with the gauge potential cancels identically with a gauge-dependent term in the usual form of the field Hamiltonian. We treat the electromagnetic field classically and treat the molecule quantum mechanically, but nonrelativistically. Our derivation starts from the Lagrangian for a set of charged particles and an electromagnetic field, with the particle coordinates, the vector potential, the scalar potential, and their time derivatives treated as the variables in the Lagrangian. We construct the full Hamiltonian using a Lagrange multiplier method originally suggested by Dirac, partition this Hamiltonian into a molecular term H{sub m} and a field term H{sub f}, and show that both H{sub m} and H{sub f} have gauge-independent expectation values. Any gauge may be chosen for the calculations; but following our partitioning, the expectation values of the molecular Hamiltonian are identical to those obtained directly in the Coulomb gauge. As a corollary of this result, the power absorbed by a molecule from a time-dependent, applied electromagnetic field is equal to the time derivative of the non-adiabatic term in the molecular energy, in any gauge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Algebraic function operator expectation value based quantum eigenstate determination: A case of twisted or bent Hamiltonian, or, a spatially univariate quantum system on a curved space

Recent studies on quantum evolutionary problems in Demiralp’s group have arrived at a stage where the construction of an expectation value formula for a given algebraic function operator depending on only position operator becomes possible. It has also been shown that this formula turns into an algebraic recursion amongst some finite number of consecutive elements in a set of expectation values of an appropriately chosen basis set over the natural number powers of the position operator as long as the function under consideration and the system Hamiltonian are both autonomous. This recursion corresponds to a denumerable infinite number of algebraic equations whose solutions can or can not be obtained analytically. This idea is not completely original. There are many recursive relations amongst the expectation values of the natural number powers of position operator. However, those recursions may not be always efficient to get the system energy values and especially the eigenstate wavefunctions. The present approach is somehow improved and generalized form of those expansions. We focus on this issue for a specific system where the Hamiltonian is defined on the coordinate of a curved space instead of the Cartesian one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Meta-metallic coils and resonators: Methods for high Q-value resonant geometries

A novel method of decreasing ohmic losses and increasing Q-value in metallic resonators at high frequencies is presented. The method overcomes the skin-depth limitation of rf current flow cross section. The method uses layers of conductive foil of thickness less than a skin depth and capacitive gaps between layers. The capacitive gaps can substantially equalize the rf current flowing in each layer, resulting in a total cross-sectional dimension for rf current flow many times larger than a skin depth. Analytic theory and finite-element simulations indicate that, for a variety of structures, the Q-value enhancement over a single thick conductor approaches the ratio of total conductor thickness to skin depth if the total number of layers is greater than one-third the square of the ratio of total conductor thickness to skin depth. The layer number requirement is due to counter-currents in each foil layer caused by the surrounding rf magnetic fields. We call structures that exhibit this type of Q-enhancement “meta-metallic.” In addition, end effects due to rf magnetic fields wrapping around the ends of the foils can substantially reduce the Q-value for some classes of structures. Foil structures with Q-values that are substantially influenced by such end effects are discussed as are five classes of structures that are not. We focus particularly on 400 MHz, which is the resonant frequency of protons at 9.4 T. Simulations at 400 MHz are shown with comparison to measurements on fabricated structures. The methods and geometries described here are general for magnetic resonance and can be used at frequencies much higher than 400 MHz.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

A computational analysis of effective R-values of buried ducts – the dynamic performance of buried ducts

Here, this paper evaluates the thermal performance of ducts partially or fully buried in loose-fill attic insulation. The overall thermal resistance between the ducts and the attic is referred to as an effective R-value. This paper shows a strong dependency of assumed attic temperature on the effective R-value. Based on the results, the effective R-value can be about twice as much with an attic temperature of 130 °F [54.4 °C], compared to when the attic temperature is 80 °F [26.7 °C]. Thus, this paper provides a polynomial regression equation based on a large set of simulations to determine the effective R-value of buried ducts depending on attic temperature and whether the HVAC system runs in cooling or heating mode. Further, the work presented in this paper investigated the potential impact of convective airflow within the attic insulation, particularly around the ducts. The analysis was based on computational fluid dynamics (CFD) and indicated that convectional forces are presented around the exterior surface of the ducts, but with negligible impact on the overall heat balance between the duct and the attic space.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2010

Double-{beta} decay Q value of {sup 150}Nd

The double-{beta} decay Q value of {sup 150}Nd was determined by using the JYFLTRAP Penning trap mass spectrometer. The measured mass difference between {sup 150}Nd and {sup 150}Sm is 3371.38(20) keV. This new value deviates by 3.7 keV from the previously adopted value of 3367.7(22) keV and is a factor of 10 more precise. Accurate knowledge of this Q value is important because {sup 150}Nd is a primary candidate to be used in the search for neutrinoless double-{beta} decay modes in several experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2015

Rethinking key–value store for parallel I/O optimization

Key-value stores are being widely used as the storage system for large-scale internet services and cloud storage systems. However, they are rarely used in HPC systems, where parallel file systems are the dominant storage solution. In this study, we examine the architecture differences and performance characteristics of parallel file systems and key-value stores. We propose using key-value stores to optimize overall Input/Output (I/O) performance, especially for workloads that parallel file systems cannot handle well, such as the cases with intense data synchronization or heavy metadata operations. We conducted experiments with several synthetic benchmarks, an I/O benchmark, and a real application. We modeled the performance of these two systems using collected data from our experiments, and we provide a predictive method to identify which system offers better I/O performance given a specific workload. The results show that we can optimize the I/O performance in HPC systems by utilizing key-value stores.

Hyperdex↗

NASA NTRS2004

Clustering with Missing Values: No Imputation Required

Clustering algorithms can identify groups in large data sets, such as star catalogs and hyperspectral images. In general, clustering methods cannot analyze items that have missing data values. Common solutions either fill in the missing values (imputation) or ignore the missing data (marginalization). Imputed values are treated as just as reliable as the truly observed data, but they are only as good as the assumptions used to create them. In contrast, we present a method for encoding partially observed features as a set of supplemental soft constraints and introduce the KSC algorithm, which incorporates constraints into the clustering process. In experiments on artificial data and data from the Sloan Digital Sky Survey, we show that soft constraints are an effective way to enable clustering with missing values.

constraints↗

NASA NTRS2020

On Boundary-Value Problems for RANS Equations and Two-Equation Turbulence Models

Currently, in engineering computations for high Reynolds number turbulent flows, turbulence modeling continues to be the most frequently used approach to represent the effects of turbulence. Such models generally rely on solving either one or two transport equations along with the Reynolds-Averaged Navier–Stokes (RANS) equations. The solution of the boundary-value problem of any system of partial differential equations requires the complete delineation of the equations and the boundary conditions, including any special restrictions and conditions. In the literature, such a description is often incomplete, neglecting important details related to the boundary conditions and possible restrictive conditions, such as how to ensure satisfying prescribed values of the dependent variables of the transport equations in the far field of a finite domain. In this article, we discuss the possible influence of boundary values, as well as near-field and far-field behavior, on the solution of the RANS equations coupled with transport equations for turbulence modeling. In so doing, we defne the concept of a welldefined boundary-value problem. Additionally, a three-dimensional, rather than a simpler one-dimensional analysis is performed to analyze the near-wall and far-field behavior of the turbulence model variables. This allows an assessment of the decay rate of these variables required to realize the boundary conditions in the far field. This paper also addresses the impact of various transformations of two-equation models (e.g., the model of Wilcox) to remove the singular behavior of the dissipation rate (ω) at the surface boundary. Finally, the issue of well-posedness regarding the governing equations is considered. A compelling argument (although not a proof) for ill-posedness is made for both direct and inverse problems.

Navier–Stokes equations↗

DOE OSTI2012

Calculation of Heating Values for the High Flux Isotope Reactor

Calculating the amount of energy released by a fission reaction (fission Q value) and the heating rate distribution in a nuclear reactor is an important part of the safety analysis. However, these calculations can become very complex. One of the codes that can be used for this type of analyses is the Monte Carlo transport code MCNP5. Currently it is impossible to calculate the Q value and heating rate disposition for delayed beta and delayed gamma particles directly from MCNP5. The purpose of this paper is to outline a rigorous method for indirectly calculating the Q values and heating rates in the High Flux Isotope Reactor (HFIR), based on previous similar studies carried out for very high-temperature reactor configurations. This method has been applied in this study to calculate heating rates for the beginning of cycle (BOC) and end-of-cycle (EOC) states of HFIR. In addition, the BOC results obtained for HFIR are compared with corresponding results for the Advanced Test Reactor. The fission Q value for HFIR was calculated as 200.2 MeV for the BOC and 201.3 MeV for the EOC. It was also determined that 95.1% and 95.4% of the heat was deposited within the HFIR fuel plates for the BOC and EOC models, respectively. This methodology can also be used for heating rate calculations for HFIR experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Establishing a value chain for human factors in nuclear power plantcontrol room modernization

Commercial nuclear power plants in the United States (U.S.) have operated reliably and efficiently for decades. With the life extensions of plants now being planned for operation beyond their original operating licenses, there are opportunities to achieve even greater efficiencies, while maintaining high operational reliabilities, with strategic, risk- and economically-informed, upgrades to plant systems and infrastructure. The U.S. Department of Energy’s Light Water Reactor Sustainability (LWRS) program supports the commercial nuclear industry’s modernization efforts through research and development (R&D) activities across many areas to help establish the technical and economic bases for modernization activities. The Advanced Instrumentation, Information, and Control Systems Technologies pathway is one R&D focus area for the LWRS program, and has researchers at Idaho National Laboratory working with select utility partners to use human factors and instrumentation and controls R&D to help modernize the plant’s main control room. However, some in the nuclear industry have not been as enthusiastic about using human factors R&D to inform life extension decision making. Part of the reason for this may stem from uncertainty decision-makers have regarding how human factors fits into the value chain for nuclear power plant control room modernization. This paper reviews past work that has attempted to demonstrate the value of human factors, and then describes the value chain concept, how it applies to control room modernization, and then makes a case for how and why human factors is an essential link in the modernization value chain.

Control room modernization↗

DOE OSTI2012

Calculation of heating values for the high flux isotope reactor

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2013

The Property Value Protection Program - How the Compensation Plan is Working and Evolving to Meet Changing Needs - 13149

The Property Value Protection (PVP) Program offers an innovative approach to address the risk of individual property value loss resulting from the cleanup and long-term management of historic low level radioactive waste in the Port Hope area in Southern Ontario, Canada. This cleanup is taking place through the Port Hope Area Initiative (PHAI), a federally sponsored waste remediation project. The PVP Program came into effect on October 1, 2000, having been established as a key element of the PHAI Legal Agreement between the Government of Canada and the municipalities of Port Hope and Clarington. The PVP Program was designed in direct response to the concern expressed by the agreement's two municipal signatories that protection of local property owners from the risk of property value loss was critical to their acceptance of the Port Hope and Port Granby projects. The PVP Program compensates owners of residential, commercial or industrial properties for a loss in fair market value on the sale or rental of their properties. Increased mortgage refinancing costs and expenses incurred as a result of delayed sales that can be attributed to the Port Hope Area Initiative are also compensated. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Evaluation of micromilling/conventional isotope ratio mass spectrometry and secondary ion mass spectrometry of δ 18 O values in fish otoliths for sclerochronology

Stable oxygen isotope ratios (δ 18 O values) measured in fish otoliths can provide valuable detailed information on fish life history, fish age determination, and ocean thermography. Traditionally, otoliths are sampled by micromilling followed by isotope ratio mass spectrometry (IRMS), but direct analysis by secondary ion mass spectrometry (SIMS) is becoming more common. However, these two methods have not been compared to determine which, if either, is better for fish age validation studies. Hence, the goals were to: (1) determine if the δ 18 O signatures from the two different methods are similar, (2) determine which method is better for fish age validation studies, and (3) examine biogeographic and migration history. Both analytical techniques, micromilling/IRMS and SIMS, were used to measure δ 18 O values in six Pacific cod (Gadus macrocephalus) otoliths. A series of measurements was made from the center of each otolith to its edge to develop a life-history δ 18 O signature for each fish. The sampling resolution of SIMS analyses was 2–3 times greater than that obtained by micromilling/IRMS. We found an offset between SIMS and micromilling/IRMS δ 18 O values, about 0.5‰ on average, with SIMS yielding lower values. However, the δ 18 O patterns from both methods (i.e., the number of δ 18 O maxima) correspond to the estimated age determined by otolith growth-zone counts, validating fish age determination methods. Both techniques resolved δ 18 O life-history signatures and showed patterns consistent with seasonal variation in temperatures and changes due to fish migration. When otoliths are large, micromilling/IRMS can provide adequate resolution for fish age validation. Finally, SIMS is the better option if greater sampling resolution is required, such as when otoliths are small or specimens are longer lived and have compact growth zones.

54 ENVIRONMENTAL SCIENCES↗